MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00255960

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O=C(C(=O)N(Cc1ccccc1)C)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C18H16N2O2/c1-20(12-13-7-3-2-4-8-13)18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h2-11,19H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1918 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -3.81417	SlogP: 3.2756	Reactive groups: 0

Topological Properties
Globularity: 0.0679226	Sterimol/B1: 2.21484	Sterimol/B2: 3.58033	Sterimol/B3: 3.91155
Sterimol/B4: 7.03604	Sterimol/L: 15.9606

Surface and Volume Properties
Accessible surface: 532.339	Positive charged surface: 317.991	Negative charged surface: 208.367	Volume: 288
Hydrophobic surface: 439.619	Hydrophilic surface: 92.72

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.